2-Propenoic acid, 1-(hydroxymethyl)propyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 1-(hydroxymethyl)propyl ester
• CAS No.: 121733-80-0
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• DSSTox Substance ID: DTXSID20888261
• Nikkaji Number: J175.503J
• Mol file: 121733-80-0.mol

Synonyms:121733-80-0;1-hydroxybutan-2-yl prop-2-enoate;2-Propenoic acid, 1-(hydroxymethyl)propyl ester;1,2-Butanediol 2-acrylate;SCHEMBL3164711;DTXSID20888261

Chemical Property of 2-Propenoic acid, 1-(hydroxymethyl)propyl ester

Chemical Property:

• Vapor Pressure: 0.0254mmHg at 25°C
• Boiling Point: 219.2°C at 760 mmHg
• Flash Point: 87.2°C
• PSA: 46.53000
• Density: 1.025g/cm³
• LogP: 0.48650
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)OC(=O)C=C

Technology Process of 2-Propenoic acid, 1-(hydroxymethyl)propyl ester

There total 1 articles about 2-Propenoic acid, 1-(hydroxymethyl)propyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyloxirane (106-88-7) + acrylic acid (79-10-7) → 2-hydroxybutyl acrylate (2421-27-4) + 1-hydroxybutan-2-yl acrylate (121733-80-0)

Guidance literature:

With pyridine; iron(III) chloride; at 20 ℃; for 2.33333h; Overall yield = 58 %; Overall yield = 11.5 g; Inert atmosphere;

DOI:10.1002/anie.201809614

upstream raw materials:

ethyloxirane

acrylic acid

Refernces